Geometry & MOs

Info

ID:	134239
PubChem CID:	51666675
Reduced:	SO2N5H27C28 (1)
Stoich.:	AB2C5D27E28 (1)
Weight, g/mol:	322.12772
ΔH_f, kcal/mol:	60.41
Dipole, Da:	5.85
IP(EA), eV:	-8.57(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(2-methoxyacetyl)hydrazinyl]-N-(2-methyl-5-nitrophenyl)but-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC2=NN3C(=N)/C(=C/C4=C(N(C(=C4)C)C5=C(C=CC=C5C)C)C)/C(=O)N=C3S2

DOS

IR

Vibrations